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Crystal structure of the mitochondrial calcium uptake 1 and 2 heterodimer (MICU1-MICU2 heterodimer) in an apo state

Analyse Crystal structure of the mitochondrial calcium uptake 1 and 2 heterodimer… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6LE5
Type
protein
Length
2,217 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
3.1
Source
Homo sapiens
Molecule
Calcium uptake protein 1, mitochondrial; Calcium uptake protein 2, mitochondrial
UniProt
Q9BPX6, Q8IYU8
Pockets
20 · best druggability 0.75

Structure

x-ray diffraction · resolution 3.1 · 8 distinct chains · 54% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACalcium uptake protein 1, mitochondrialprotein23455% helix, 3% strandQ9BPX6
BCalcium uptake protein 2, mitochondrialprotein28956% helix, 6% strandQ8IYU8
CCalcium uptake protein 2, mitochondrialprotein28054% helix, 5% strandQ8IYU8
DCalcium uptake protein 1, mitochondrialprotein30452% helix, 6% strandQ9BPX6
ECalcium uptake protein 1, mitochondrialprotein30449% helix, 7% strandQ9BPX6
FCalcium uptake protein 2, mitochondrialprotein27956% helix, 5% strandQ8IYU8
GCalcium uptake protein 1, mitochondrialprotein23655% helix, 4% strandQ9BPX6
HCalcium uptake protein 2, mitochondrialprotein29157% helix, 5% strandQ8IYU8

Pockets

20 pockets found on a 1 Å grid, 19 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15550.750.8265empty
2730.730.9714empty
3670.720.9713empty
45840.710.7947empty
55850.700.7858empty

Interfaces

10 interfaces between chains.

  • A–B · 1011 Ų buried · 5 hydrogen bonds · protein-protein
  • C–D · 1005 Ų buried · 6 hydrogen bonds · protein-protein
  • E–F · 1000 Ų buried · 5 hydrogen bonds · protein-protein
  • B–C · 955 Ų buried · 11 hydrogen bonds · protein-protein
  • G–H · 950 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 52 modified (engineered).

Compared structures

  • 6LE5 · Crystal structure of the mitochondrial calcium uptake 1 and 2 heterodimer (MICU1-MICU2… · the same entry in another collection · chain H against H, TM-score 1.00
  • Q9BPX6 · AlphaFold monomer V2.0 prediction for calcium uptake protein 1, mitochondrial (Q9BPX6) · a predicted model of the same protein · chain G against A, TM-score 0.97

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